Molecule card · MolClass #52251
3714564
3714564: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 3714564Mitochondrial Fusion · compound_name
- MolClass ID
- 52251
- InChIKey
- WSVKPFGFYGKJMK-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(CNCC(O)c1ccccc1)N2CCOCC2
- Standard InChI
- InChI=1S/C16H26N2O2/c1-16(2,18-8-10-20-11-9-18)13-17-12-15(19)14-6-4-3-5-7-14/h3-7,15,17,19H,8-13H2,1-2H3
- Stored Murcko scaffold
- O1CCN(CC1)CCNCCc2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.258
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 3714564